1-(4-chlorophenyl)-2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
Compound ID: | 8415-04049 |
Compound Name: | 1-(4-chlorophenyl)-2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
Molecular Weight: | 373.86 |
Molecular Formula: | C18 H16 Cl N3 O2 S |
Smiles: | Cn1c(c2ccccc2OC)nnc1SCC(c1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.536 |
logD: | 3.536 |
logSw: | -4.2289 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 45.928 |
InChI Key: | NBMRICNUJBTFER-UHFFFAOYSA-N |